1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one

C11H21N3O2 — CID 110603330

IUPAC1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)13-6-8-14(9-7-13)11(16)4-5-12(2)3/h4-9H2,1-3H3
InChIKeyGJXAIFUWXYOHRC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one (PubChem CID 110603330) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
PubChem CID110603330
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)13-6-8-14(9-7-13)11(16)4-5-12(2)3/h4-9H2,1-3H3
InChIKeyGJXAIFUWXYOHRC-UHFFFAOYSA-N
XLogP-0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
CID 165146140
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
CID 7023643
4-[3-(dimethylamino)propanoyl]-N-ethylpiperazine-1-sulfonamide
CID 110611593
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one (CID 110603330) is 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one is CC(=O)N1CCN(C(=O)CCN(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is GJXAIFUWXYOHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(15)13-6-8-14(9-7-13)11(16)4-5-12(2)3/h4-9H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 227.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 110603330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).